CID 201551

6224-47-1

Structural Information

Molecular Formula
C16H22N2
SMILES
CC(C)[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C(C)C
InChI
InChI=1S/C16H22N2/c1-13(2)17-9-5-15(6-10-17)16-7-11-18(12-8-16)14(3)4/h5-14H,1-4H3/q+2
InChIKey
PEEXYZNONDIJMD-UHFFFAOYSA-N
Compound name
1-propan-2-yl-4-(1-propan-2-ylpyridin-1-ium-4-yl)pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

242.1783 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.18558 161.4
[M+Na]+ 265.16752 168.0
[M-H]- 241.17102 165.8
[M+NH4]+ 260.21212 175.5
[M+K]+ 281.14146 153.6
[M+H-H2O]+ 225.17556 157.9
[M+HCOO]- 287.17650 179.5
[M+CH3COO]- 301.19215 185.1
[M+Na-2H]- 263.15297 168.9
[M]+ 242.17775 159.2
[M]- 242.17885 159.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe